phenyl 5-phenoxypentanoate

C17H18O3 — CID 54534861

IUPACphenyl 5-phenoxypentanoate
SMILESO=C(CCCCOc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H18O3/c18-17(20-16-11-5-2-6-12-16)13-7-8-14-19-15-9-3-1-4-10-15/h1-6,9-12H,7-8,13-14H2
InChIKeyYZBMCEWHHPFUFL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.84
Rot. Bonds7

About phenyl 5-phenoxypentanoate

phenyl 5-phenoxypentanoate (PubChem CID 54534861) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is phenyl 5-phenoxypentanoate.

Molecular Properties

Compound Namephenyl 5-phenoxypentanoate
PubChem CID54534861
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namephenyl 5-phenoxypentanoate
SMILESO=C(CCCCOc1ccccc1)Oc1ccccc1
InChIInChI=1S/C17H18O3/c18-17(20-16-11-5-2-6-12-16)13-7-8-14-19-15-9-3-1-4-10-15/h1-6,9-12H,7-8,13-14H2
InChIKeyYZBMCEWHHPFUFL-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-(9-oxo-9-phenoxynonoxy)benzoic acid
CID 168826259
diphenyl nonanedioate
CID 18428919
50-oxo-50-phenoxypentacontanoic acid
CID 139682644
44-oxo-44-phenoxytetratetracontanoic acid
CID 139683012
52-oxo-52-phenoxydopentacontanoic acid
CID 139682709
59-oxo-59-phenoxynonapentacontanoic acid
CID 139682621
6-O-phenyl 1-O-undecyl hexanedioate
CID 91713633
phenyl 5-butoxypentanoate
CID 174713962
9-phenoxynonanoic acid
CID 15887638
(4-aminophenyl) 6-(4-aminophenoxy)hexanoate
CID 86294322
1-O-(6-chlorohexyl) 4-O-phenyl butanedioate
CID 91701908
phenyl hexapentacontanoate
CID 139682998

Frequently Asked Questions

What is the IUPAC name of phenyl 5-phenoxypentanoate?
The IUPAC name of phenyl 5-phenoxypentanoate (CID 54534861) is phenyl 5-phenoxypentanoate.
What is the SMILES notation for phenyl 5-phenoxypentanoate?
The canonical SMILES for phenyl 5-phenoxypentanoate is O=C(CCCCOc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl 5-phenoxypentanoate?
The InChIKey is YZBMCEWHHPFUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-17(20-16-11-5-2-6-12-16)13-7-8-14-19-15-9-3-1-4-10-15/h1-6,9-12H,7-8,13-14H2.
What are the key properties of phenyl 5-phenoxypentanoate?
phenyl 5-phenoxypentanoate has a molecular weight of 270.33 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-phenoxypentanoate is sourced from PubChem (CID 54534861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).